N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide

C19H25N3O5S2 — CID 42960995

IUPACN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC(C)c2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C19H25N3O5S2/c1-13(2)21-29(26,27)16-9-7-8-15(12-16)19(23)20-14(3)17-10-5-6-11-18(17)22-28(4,24)25/h5-14,21-22H,1-4H3,(H,20,23)
InChIKeyZMLMRARITKLTAB-UHFFFAOYSA-N
MW439.56 g/mol
LogP2.24
Rot. Bonds8

About N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide

N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide (PubChem CID 42960995) has the molecular formula C19H25N3O5S2 and a molecular weight of 439.56 g/mol. Its IUPAC name is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
PubChem CID42960995
Molecular FormulaC19H25N3O5S2
Molecular Weight439.56 g/mol
Exact Mass439.12
IUPAC NameN-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)NC(C)c2ccccc2NS(C)(=O)=O)c1
InChIInChI=1S/C19H25N3O5S2/c1-13(2)21-29(26,27)16-9-7-8-15(12-16)19(23)20-14(3)17-10-5-6-11-18(17)22-28(4,24)25/h5-14,21-22H,1-4H3,(H,20,23)
InChIKeyZMLMRARITKLTAB-UHFFFAOYSA-N
XLogP2.24
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-propan-2-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 17438081
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60544539
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-propoxybenzamide
CID 55933853
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-methoxy-4-methylbenzamide
CID 55699794
N-[1-(2-methylphenyl)ethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 132663234
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
N-(1-amino-4-methylpentan-2-yl)-3-(propan-2-ylsulfamoyl)benzamide;hydrochloride
CID 119587994
N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 55893509
N-(2-cyanophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 109062122
N-(2,3-dimethylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26538375
N-(2-methylpropyl)-3-[(2-propan-2-ylphenyl)sulfamoyl]benzamide
CID 109062830
(2S,3S)-3-methyl-2-[[3-(propan-2-ylsulfamoyl)benzoyl]amino]pentanoic acid
CID 119193995

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide (CID 42960995) is N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)NC(C)c2ccccc2NS(C)(=O)=O)c1.
What is the InChIKey of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is ZMLMRARITKLTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S2/c1-13(2)21-29(26,27)16-9-7-8-15(12-16)19(23)20-14(3)17-10-5-6-11-18(17)22-28(4,24)25/h5-14,21-22H,1-4H3,(H,20,23).
What are the key properties of N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide?
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 439.56 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methanesulfonamido)phenyl]ethyl]-3-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 42960995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).